Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 70eV, Positive (FDB015476)
Spectrum Details
| FooDB ID: | FDB015476 |
|---|---|
| Compound Name: | Pallidol 3,3''-diglucoside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(C1=CC=C(O)C=C1)C1C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(C3=CC=C(O)C=C3)C21 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C40H42O16 |
| Molecular Weight (Monoisotopic Mass): | 778.2473 Da |
| Derivative Type: | TBDMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(C1=CC=C(O)C=C1)C1C3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(C3=CC=C(O)C=C3)C21)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 742 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available